MolNFT v1 · #69405 · protein
Crystal structure of SULFIDE:QUINONE oxidoreductase from acidithiobacillus ferrooxidans, C160A mutant
3KPK · Sulfide-quinone reductase, putative: “Crystal structure of SULFIDE:QUINONE oxidoreductase from acidithiobacillus ferrooxidans, C160A mutant”. X-ray diffraction, 2 ligands (FAD, H2S), 4 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 3KPK
- Type
- protein
- Length
- 418 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfide-quinone reductase, putative
- UniProt
- B7JBP8
- Ligands
- FAD, H2S
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfide-quinone reductase, putative | protein | 418 | 30% helix, 27% strand | B7JBP8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- H2S · Hydrosulfuric acid · ion · 2 copies · chains A
- LMT · Dodecyl-beta-D-maltoside · additive · chains A
- PGR · R-1,2-propanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.82 | 0.83 | 79 | FAD, H2S, PGR |
| 2 | 165 | 0.65 | 0.85 | 30 | LMT |
| 3 | 156 | 0.53 | 0.80 | 32 | empty |
| 4 | 79 | 0.32 | 0.74 | 21 | empty |
Compared structures
- 3KPK · Crystal structure of sulfide:qui oxidoreductase from Acidithiobacillus ferrooxidans… · the same entry in another collection · chain A against A, TM-score 1.00
- B7JBP8 · AlphaFold monomer V2.0 prediction for sulfide-quinone reductase (B7JBP8) · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt B7JBP8
- Elsewhere: RCSB PDB 3KPK · PDBe 3KPK · UniProt B7JBP8
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